On Tue, Sep 20, 2011 at 9:01 AM, Brian Radak <radak004.umn.edu> wrote:
>
> P.S. Perhaps unrelated, but something that impacts the velocities: I
> recall
> (perhaps incorrectly) being told that I should be careful about random
> number seeds being identical in the 2 processes, so I set them manually in
> the input files using a large random number (i.e. I did NOT use ig = -1).
>
This is no longer necessary for a patched Amber11 and a git checkout (see
specifically bugfix.13 for Amber 11).
For the rest of it, I'm not sure why you don't get identical temperatures...
All the best,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Sep 20 2011 - 13:30:02 PDT
